Geometry & MOs

Info

ID:	448430
PubChem CID:	135290853
Reduced:	ClOF3N4H12C13 (1)
Stoich.:	ABC3D4E12F13 (1)
Weight, g/mol:	381.112268
ΔH_f, kcal/mol:	-127.45
Dipole, Da:	3.81
IP(EA), eV:	-9.64(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)Cl)C(F)(F)F

DOS

IR

Vibrations